N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine

C92H48F68N2 — CID 102156826

IUPACN-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5ccccc45)c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5ccccc45)cc3)cc2)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccccc12
InChIInChI=1S/C92H48F68N2/c93-61(94,65(101,102)69(109,110)73(117,118)77(125,126)81(133,134)85(141,142)89(149,150)151)37-33-43-21-29-57(53-13-5-1-9-49(43)53)161(58-30-22-44(50-10-2-6-14-54(50)58)34-38-62(95,96)66(103,104)70(111,112)74(119,120)78(127,128)82(135,136)86(143,144)90(152,153)154)47-25-17-41(18-26-47)42-19-27-48(28-20-42)162(59-31-23-45(51-11-3-7-15-55(51)59)35-39-63(97,98)67(105,106)71(113,114)75(121,122)79(129,130)83(137,138)87(145,146)91(155,156)157)60-32-24-46(52-12-4-8-16-56(52)60)36-40-64(99,100)68(107,108)72(115,116)76(123,124)80(131,132)84(139,140)88(147,148)92(158,159)160/h1-32H,33-40H2
InChIKeyBWNWJGMRZQQBDG-UHFFFAOYSA-N
MW2473.27 g/mol
LogP38.67
Rot. Bonds43

About N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine

N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine (PubChem CID 102156826) has the molecular formula C92H48F68N2 and a molecular weight of 2473.27 g/mol. Its IUPAC name is N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine
PubChem CID102156826
Molecular FormulaC92H48F68N2
Molecular Weight2473.27 g/mol
Exact Mass2472.27
IUPAC NameN-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5ccccc45)c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5ccccc45)cc3)cc2)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccccc12
InChIInChI=1S/C92H48F68N2/c93-61(94,65(101,102)69(109,110)73(117,118)77(125,126)81(133,134)85(141,142)89(149,150)151)37-33-43-21-29-57(53-13-5-1-9-49(43)53)161(58-30-22-44(50-10-2-6-14-54(50)58)34-38-62(95,96)66(103,104)70(111,112)74(119,120)78(127,128)82(135,136)86(143,144)90(152,153)154)47-25-17-41(18-26-47)42-19-27-48(28-20-42)162(59-31-23-45(51-11-3-7-15-55(51)59)35-39-63(97,98)67(105,106)71(113,114)75(121,122)79(129,130)83(137,138)87(145,146)91(155,156)157)60-32-24-46(52-12-4-8-16-56(52)60)36-40-64(99,100)68(107,108)72(115,116)76(123,124)80(131,132)84(139,140)88(147,148)92(158,159)160/h1-32H,33-40H2
InChIKeyBWNWJGMRZQQBDG-UHFFFAOYSA-N
XLogP38.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002473.27
LogP ≤ 538.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine with MolForge

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Related Compounds

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CID 59920086
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CID 4645692
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CID 11375328
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CID 16184078
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CID 16184079
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CID 22229200

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine (CID 102156826) is N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5ccccc45)c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5ccccc45)cc3)cc2)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccccc12.
What is the InChIKey of N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine?
The InChIKey is BWNWJGMRZQQBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H48F68N2/c93-61(94,65(101,102)69(109,110)73(117,118)77(125,126)81(133,134)85(141,142)89(149,150)151)37-33-43-21-29-57(53-13-5-1-9-49(43)53)161(58-30-22-44(50-10-2-6-14-54(50)58)34-38-62(95,96)66(103,104)70(111,112)74(119,120)78(127,128)82(135,136)86(143,144)90(152,153)154)47-25-17-41(18-26-47)42-19-27-48(28-20-42)162(59-31-23-45(51-11-3-7-15-55(51)59)35-39-63(97,98)67(105,106)71(113,114)75(121,122)79(129,130)83(137,138)87(145,146)91(155,156)157)60-32-24-46(52-12-4-8-16-56(52)60)36-40-64(99,100)68(107,108)72(115,116)76(123,124)80(131,132)84(139,140)88(147,148)92(158,159)160/h1-32H,33-40H2.
What are the key properties of N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine?
N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine has a molecular weight of 2473.27 g/mol, XLogP of 38.67, 43 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 102156826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).